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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 91 records · Page 5

Strongly coupled stress waves in heterogeneous plates.

Consideration of coupled stress waves generated by an impulsive load applied at one end of a semiinfinite plate. For the field equations governing the one-dimensional coupled waves a hyperbolic system of equations is obtained in which a strong coupling in the second derivatives exists. The method of characteristics described by Chou and Mortimer (1967) is extended to cover the case of strong coupling, and a study is made of the transient stress waves in a semiinfinite plate subjected to an initial step input. Coupled discontinuity fronts are found to propagate at different velocities. The normal plate stress and the bending moment at different time regimes are illustrated by graphs.

Wang, A. S. D.↗

Coherent wave induced particle precipitation into the upper atmosphere

A description is presented of the results of a computer simulation involving a study of the particle precipitation induced by coherent VLF waves in the magnetosphere. The results of a computation for a 10 picoweber/sq m wave amplitude are shown in a graph. The precipitated flux for three different energies is given in a table. For 1.5 keV the energy deposition rate is about 0.8 erg/sq cm-sec, almost as intense as a moderate aurora. It is concluded that significant energy is deposited by a wave of 10 picoweber/sq m intensity. Such a wave amplitude is representative of highly coherent VLF wave types that are found in the magnetosphere. On the basis of the considered results it appears that controlled VLF wave injection in the magnetosphere could be an important and useful tool to study the coupling processes between the atmosphere and magnetosphere.

Inan, U. S.↗

Thermomechanical Property Prediction of Amorphous and Crystal PEKK via Molecular Dynamics

Traditionally, advanced aerospace composites have been manufactured using thermoset resins. However, recently, thermoplastics have been investigated for use in the manufacturing of composite materials due to their unique manufacturing characteristics. Thermoplastic resins can be reshaped and formed, along with the added benefit of being recyclable, which thermoset resin cannot. Thermoplastic materials undergo a crystallization process during manufacturing which affects the percent crystallinity of the material. The crystallization needs to be understood better to maximize the potential of thermoplastic resins. PEKK is a thermoplastic material with good chemical, thermal, and mechanical loading resistance. PEKK is also a material NASA is interested in for developing new bonded joint technology. The crystalline microstructure of PEKK is at the micrometer length scale, and it is of interest to model the effects of the crystallinity structure on PEKK’s bulk properties. Molecular dynamics (MD) is a simulation tool that allows for property-structure relationships between atomistic structure and nanometer-length portions of a material. This makes MD a useful tool for developing the structure-property relationship of PEKK. However, the micrometer length scale of PEKK’s crystal structure is too large for MD. Thus, a hybrid approach to modeling PEKK’s microstructure is proposed in this work where MD models are built of both the amorphous and crystalline phases of PEKK. The engineering material properties can be obtained using MD at the nanometer length scale. A micromechanics approach can then generate the micrometer length scale of the crystallinity and the effective properties can be homogenized. The objective of this paper is to show the MD model workflow and the MD-predicted properties of PEKK. The properties can then be homogenized with different crystalline percentages to build design graphs that can be used to tailor PEKK for specific composite applications.

poly ether ketone ketone↗

PowerModelsGAT-AI: Physics-Informed Graph Attention for Multi-System Power Flow With Continual Learning

Solving the alternating current power flow equations in real time is essential for secure grid operation, yet classical Newton–Raphson solvers can be slow under stressed conditions. Existing graph neural networks for power flow are typically trained on a single system and often degrade on different systems. We present PowerModelsGAT-AI, a physics-informed graph attention network that predicts bus voltages and generator injections. The model uses bus-type-aware masking to handle different bus types and balances multiple loss terms, including a power-mismatch penalty, using learned weights. We evaluate the model on 14 benchmark systems (4 to 6,470 buses) and train a unified model on 13 of these under contingency conditions with up to two branch outages, achieving an average normalized mean absolute error of 0.89% for voltage magnitudes and R 2 >0.99 for voltage angles. We also show continual learning: when adapting a base model to a new 1,354-bus system, standard fine-tuning causes severe forgetting with error increases exceeding 1000% on base systems, while our experience replay and elastic weight consolidation strategy keeps error increases below 2% and in some cases improves base-system performance. Interpretability analysis shows that learned attention weights correlate with physical branch parameters (susceptance: r=0.38 ; thermal limits: r=0.22 ), and feature importance analysis supports that the model captures established power flow relationships.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A New Paradigm for Quality Metrics

SMA metrics have been traditionally represented as either leading and lagging indicators. Traditional ways of viewing these metrics and trending the data is via graphs which reflect one attribute in each graph. The KSC Independent Assessment Team developed a non-traditional method for expressing variation as a ratio (the deviation between the Expected and Actual). This method allows different measures to be plotted on the same graph for trending and comparison to provide a holistic view across a particular theme or discipline. Since all measurements are a ratio of variation and dimensionless, this variation-based metrics approach can be used a new analytical tool which is complimentary to existing value-added metrics tools.

Dimensionless↗

Analysis and Mitigation of Cascading Failures Using a Stochastic Interaction Graph with Eigen-analysis

In studies on complex network systems using graph theory, eigen-analysis is typically performed on an undirected graph model of the network. However, when analyzing cascading failures in a power system, the interactions among failures suggest the need for a directed graph beyond the topology of the power system to model directions of failure propagation. To accurately quantify failure interactions for effective mitigation strategies, this paper proposes a stochastic interaction graph model and associated eigen-analysis. Different types of modes on failure propagations are defined and characterized by the eigenvalues of a stochastic interaction matrix, whose absolute values are unity, zero, or in between. Finding and interpreting these modes helps identify the probable patterns of failure propagation, either local or widespread, and the participating components based on eigenvectors. Then, by lowering the failure probabilities of critical components highly participating in a mode of widespread failures, cascading can be mitigated. Here, the validity of the proposed stochastic interaction graph model, eigen-analysis and the resulting mitigation strategies is demonstrated using simulated cascading failure data on an NPCC 140-bus system.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Mineralogy of the Martian surface from Mariner 6/7 infrared spectrometer data

The Mariner 6/7 Infrared Spectrometer (IRS) experiment data from the 1969 Mars flyby encounters represent a valuable source of information about the IR reflection/emission spectrum of Mars in the 1.9 and 14.4 micron region. During 1990, the wavelength calibration of the IRS data was completely redone, using information from inflight spectra of Mars taken through a polystyrene film and from the locations of Martian CO2 bands. The response functions of the two instruments were then rederived using laboratory black body spectra. Also, a particular approach was taken to study the IRS data in which the effects of uncertain wavelength and intensity calibration can be minimized. This involves doing ratios of spectra. These are of particular value when applied to study contrasts between various albedo domains on the Mars surface and between spectra with differing emission angle. The latter provide a means of assessing the contribution of the atmosphere and airborne dust to the spectra. Given here are graphs showing two near infrared radiance spectra for very different albedo regions and a ratio of two spectra obtained at very different total solar pathlength (airmass).

Martin, T. Z.↗

Thermal modeling of directed energy deposition additive manufacturing using graph theory

Purpose: The purpose of this paper is to develop, apply and validate a mesh-free graph theory–based approach for rapid thermal modeling of the directed energy deposition (DED) additive manufacturing (AM) process. Design/methodology/approach: Here, the authors develop a novel mesh-free graph theory–based approach to predict the thermal history of the DED process. Subsequently, the authors validated the graph theory predicted temperature trends using experimental temperature data for DED of titanium alloy parts (Ti-6Al-4V). Temperature trends were tracked by embedding thermocouples in the substrate. The DED process was simulated using the graph theory approach, and the thermal history predictions were validated based on the data from the thermocouples. Findings: The temperature trends predicted by the graph theory approach have mean absolute percentage error of approximately 11% and root mean square error of 23°C when compared to the experimental data. Moreover, the graph theory simulation was obtained within 4 min using desktop computing resources, which is less than the build time of 25 min. By comparison, a finite element–based model required 136 min to converge to similar level of error. Research limitations/implications: This study uses data from fixed thermocouples when printing thin-wall DED parts. In the future, the authors will incorporate infrared thermal camera data from large parts. Practical implications: The DED process is particularly valuable for near-net shape manufacturing, repair and remanufacturing applications. However, DED parts are often afflicted with flaws, such as cracking and distortion. In DED, flaw formation is largely governed by the intensity and spatial distribution of heat in the part during the process, often referred to as the thermal history. Accordingly, fast and accurate thermal models to predict the thermal history are necessary to understand and preclude flaw formation. Originality/value: This paper presents a new mesh-free computational thermal modeling approach based on graph theory (network science) and applies it to DED. The approach eschews the tedious and computationally demanding meshing aspect of finite element modeling and allows rapid simulation of the thermal history in additive manufacturing. Although the graph theory has been applied to thermal modeling of laser powder bed fusion (LPBF), there are distinct phenomenological differences between DED and LPBF that necessitate substantial modifications to the graph theory approach.

42 ENGINEERING↗

The Nasa earth resources spectral information system: A data compilation, first supplement

The NASA Earth Resources Spectral Information System and the information contained therein are described. It is intended to be used as a supplement to the NASA Earth Resources Spectral Information System: A Data Compilation, N72-28366. This supplement includes approximately 500 rock and mineral, 100 soil, and 30 vegetation bidirectional and directional reflectance, transmittance, emittance, and degree-of-polarization curves in the optical region from 0.2 to 22.0 microns. The data have been categorized by subject and each curve plotted on a single graph. For some rocks and minerals, all curves of the same type, differing only in particle size, have been plotted on one grid as a composite plot. Each graph, composite or single, is fully titled to indicate curve source and is indexed by subject to facilitate user retrieval.

Leeman, V.↗

Clarifying trust of materials property predictions using neural networks with distribution-specific uncertainty quantification

It is critical that machine learning (ML) model predictions be trustworthy for high-throughput catalyst discovery approaches. Uncertainty quantification (UQ) methods allow estimation of the trustworthiness of an ML model, but these methods have not been well explored in the field of heterogeneous catalysis. Herein, we investigate different UQ methods applied to a crystal graph convolutional neural network to predict adsorption energies of molecules on alloys from the Open Catalyst 2020 dataset, the largest existing heterogeneous catalyst dataset. We apply three UQ methods to the adsorption energy predictions, namely k-fold ensembling, Monte Carlo dropout, and evidential regression. The effectiveness of each UQ method is assessed based on accuracy, sharpness, dispersion, calibration, and tightness. Evidential regression is demonstrated to be a powerful approach for rapidly obtaining tunable, competitively trustworthy UQ estimates for heterogeneous catalysis applications when using neural networks. Recalibration of model uncertainties is shown to be essential in practical screening applications of catalysts using uncertainties.

36 MATERIALS SCIENCE↗

DLSIA: Deep Learning for Scientific Image Analysis

DLSIA (Deep Learning for Scientific Image Analysis) is a Python-based machine learning library that empowers scientists and researchers across diverse scientific domains with a range of customizable convolutional neural network (CNN) architectures for a wide variety of tasks in image analysis to be used in downstream data processing. DLSIA features easy-to-use architectures, such as autoencoders, tunable U-Nets and parameter-lean mixed-scale dense networks (MSDNets). Additionally, this article introduces sparse mixed-scale networks (SMSNets), generated using random graphs, sparse connections and dilated convolutions connecting different length scales. For verification, several DLSIA-instantiated networks and training scripts are employed in multiple applications, including inpainting for X-ray scattering data using U-Nets and MSDNets, segmenting 3D fibers in X-ray tomographic reconstructions of concrete using an ensemble of SMSNets, and leveraging autoencoder latent spaces for data compression and clustering. As experimental data continue to grow in scale and complexity, DLSIA provides accessible CNN construction and abstracts CNN complexities, allowing scientists to tailor their machine learning approaches, accelerate discoveries, foster interdisciplinary collaboration and advance research in scientific image analysis.

97 MATHEMATICS AND COMPUTING↗

Replication Package for "Union-Find and Usability: A Case Study and Analysis of Rust Formal Verifier

This replication package is a case study on automated deductive verification for Rust for practical programs. It is a companion artifact to a corresponding usability study on verification titled "Union-Find and Usability: A Case Study and Analysis of Rust Formal Verifiers". It seeks to answer the question "Can Rust developers today use Rust verifiers to verify their code?". To answer this question, the study contrasts the verification experience of two mature Rust verifiers, Creusot and Prusti, by using the tools to develop a verified implementation of union-find in Rust. The union-find implementation is based on real-world code as used in the popular egg E-graph library. The artifact consists of two different verified libraries, one using Creusot and one using Prusti. The libraries have similar Rust interfaces and high-level proofs but differ in their details: Creusot and Prusti have different annotation languages and support different proof styles. Each implementation can be verified with its respective tool and compiles as a traditional Rust development.

Sarracino, John↗

Picture gallery: A structured presentation of OAO-2 photometric data supported by UBV, ANS, and TD1 observations

Stellar fluxes for 531 stars in the wavelength range lambda 5500-1330A lambda are presented in the form of graphs. The stars are divided into 52 different categories on the basis of their spectral types and objects within one category are shown together. The agreement between the various ultraviolet photometric systems for early type stars is generally better than 0.10 mag. Stars with known and/or observed variability have been grouped separately. A list of stars with observed photometric properties which are indicative of stellar or interstellar anomalies is also provided.

Koornneed, J.↗

Method for determining the point of zero zeta potential of semiconductor

A method to determine the potential of zero charge of an unpowdered semiconductor material is presented. The semiconductor material is used as the working electrode of a standard three electrode photoelectrochemical cell. The onset potential of the semiconductor material is measured at several different cell temperatures. The slope of the graph of onset potential versus temperature is used to compute the potential of zero charge.

Reichman, B.↗

Unsteady transonic flows - Introduction, current trends, applications

The computational treatment of unsteady transonic flows is discussed, reviewing the historical development and current techniques. The fundamental physical principles are outlined; the governing equations are introduced; three-dimensional linearized and two-dimensional linear-perturbation theories in frequency domain are described in detail; and consideration is given to frequency-domain FEMs and time-domain finite-difference and integral-equation methods. Extensive graphs and diagrams are included.

Yates, E. C., Jr.↗

Supernovae and supernova remnants

The basic features and astrophysics of supernovae of types Ia, Ib, and II and of SNRs are discussed, summarizing the results of recent ground-based and space observations obtained at different wavelengths. Typical data are presented in graphs and sample images, and consideration is given to their implications for shock heating by the initial explosion, radioactive energy input, circumstellar interaction, and pulsar energy input. SNRs described include Tycho's remnant, Kepler's remnant, the Cyg loop, Pup A, the Crab Nebula, the Vela and Crab pulsars, and 0540-69.3 in the LMC. The need for high-spatial-resolution IR and X-ray spectra of these objects is indicated.

Chevalier, Roger A.↗

Graph characterization of higher-order structure in atmospheric chemical reaction mechanisms

Atmospheric chemical reactions play an important role in air quality and climate change. While the structure and dynamics of individual chemical reactions are fairly well understood, the emergent properties of the entire atmospheric chemical system, which can involve many different species that participate in many different reactions, are not well described. In this work, we leverage graph-theoretic techniques to characterize patterns of interaction (“motifs”) in three different representations of gas-phase atmospheric chemistry, termed “chemical mechanisms.” These widely used mechanisms, the master chemical mechanism, the GEOS-Chem mechanism, and the Super-Fast mechanism, vary dramatically in scale and application, but they all generally aim to simulate the abundance and variability of chemical species in the atmosphere. This motif analysis quantifies the fundamental patterns of interaction within the mechanisms, which are directly related to their construction. For example, the gas-phase chemistry in the very small Super-Fast mechanism is entirely composed of bimolecular reactions, and its motif distribution matches that of an individual bimolecular reaction well. The larger and more complex mechanisms show emergent motif distributions that differ strongly from any specific reaction type, consistent with their complexity. The proposed motif analysis demonstrates that while these mechanisms all have a similar design goal, their higher-order structure of interactions differs strongly and thus provides a novel set of tools for exploring differences across chemical mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗